5-fluoro-2-methoxy-3-(3,3,4,4-tetradeuterio-2H-pyrrol-5-yl)pyridine

C10H11FN2O — CID 156622129

IUPAC5-fluoro-2-methoxy-3-(3,3,4,4-tetradeuterio-2H-pyrrol-5-yl)pyridine
SMILES[2H]C1([2H])CN=C(c2cc(F)cnc2OC)C1([2H])[2H]
InChIInChI=1S/C10H11FN2O/c1-14-10-8(5-7(11)6-13-10)9-3-2-4-12-9/h5-6H,2-4H2,1H3/i2D2,3D2
InChIKeyLHGHFWIPMSPGDT-RRVWJQJTSA-N
MW198.23 g/mol
LogP1.81
Rot. Bonds2

About 5-fluoro-2-methoxy-3-(3,3,4,4-tetradeuterio-2H-pyrrol-5-yl)pyridine

5-fluoro-2-methoxy-3-(3,3,4,4-tetradeuterio-2H-pyrrol-5-yl)pyridine (PubChem CID 156622129) has the molecular formula C10H11FN2O and a molecular weight of 198.23 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-3-(3,3,4,4-tetradeuterio-2H-pyrrol-5-yl)pyridine.

Molecular Properties

Compound Name5-fluoro-2-methoxy-3-(3,3,4,4-tetradeuterio-2H-pyrrol-5-yl)pyridine
PubChem CID156622129
Molecular FormulaC10H11FN2O
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name5-fluoro-2-methoxy-3-(3,3,4,4-tetradeuterio-2H-pyrrol-5-yl)pyridine
SMILES[2H]C1([2H])CN=C(c2cc(F)cnc2OC)C1([2H])[2H]
InChIInChI=1S/C10H11FN2O/c1-14-10-8(5-7(11)6-13-10)9-3-2-4-12-9/h5-6H,2-4H2,1H3/i2D2,3D2
InChIKeyLHGHFWIPMSPGDT-RRVWJQJTSA-N
XLogP1.81
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-methoxy-3-pyridin-4-ylpyridine
CID 46315714
[4-(5-fluoro-2-methoxy-3-pyridinyl)phenyl]methanamine
CID 67244915
3-tert-butyl-5-fluoro-2-methoxypyridine
CID 126576651
N-amino-N-(5-fluoro-2-methoxy-3-pyridinyl)hydroxylamine
CID 164593678
1-(5-fluoro-2-methoxy-3-pyridinyl)ethanamine;dihydrochloride
CID 162422590
1-[(5-fluoro-2-methoxy-3-pyridinyl)methyl]-4-methylpiperazine
CID 126759845
cyclopropane;N-[2-(5-fluoro-2-methoxy-3-pyridinyl)-1-methylpyrrolo[2,3-c]pyridin-5-yl]-N-methylhydroxylamine;uranium
CID 163252319
1-ethyl-2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolo[2,3-c]pyridine
CID 163252824
5-(4-fluorophenyl)-6-methoxypyridin-3-amine
CID 46311843
1-(5-fluoro-2-methoxy-3-pyridinyl)but-3-yn-2-amine
CID 165147934
4-[3-(5-fluoro-2-methoxy-3-pyridinyl)pyrazin-2-yl]oxybenzaldehyde
CID 150478718
3-fluoro-5-iodo-7H-pyrrolo[3,4-b]pyridine
CID 58065607

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-3-(3,3,4,4-tetradeuterio-2H-pyrrol-5-yl)pyridine?
The IUPAC name of 5-fluoro-2-methoxy-3-(3,3,4,4-tetradeuterio-2H-pyrrol-5-yl)pyridine (CID 156622129) is 5-fluoro-2-methoxy-3-(3,3,4,4-tetradeuterio-2H-pyrrol-5-yl)pyridine.
What is the SMILES notation for 5-fluoro-2-methoxy-3-(3,3,4,4-tetradeuterio-2H-pyrrol-5-yl)pyridine?
The canonical SMILES for 5-fluoro-2-methoxy-3-(3,3,4,4-tetradeuterio-2H-pyrrol-5-yl)pyridine is [2H]C1([2H])CN=C(c2cc(F)cnc2OC)C1([2H])[2H].
What is the InChIKey of 5-fluoro-2-methoxy-3-(3,3,4,4-tetradeuterio-2H-pyrrol-5-yl)pyridine?
The InChIKey is LHGHFWIPMSPGDT-RRVWJQJTSA-N. The full InChI is InChI=1S/C10H11FN2O/c1-14-10-8(5-7(11)6-13-10)9-3-2-4-12-9/h5-6H,2-4H2,1H3/i2D2,3D2.
What are the key properties of 5-fluoro-2-methoxy-3-(3,3,4,4-tetradeuterio-2H-pyrrol-5-yl)pyridine?
5-fluoro-2-methoxy-3-(3,3,4,4-tetradeuterio-2H-pyrrol-5-yl)pyridine has a molecular weight of 198.23 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-3-(3,3,4,4-tetradeuterio-2H-pyrrol-5-yl)pyridine is sourced from PubChem (CID 156622129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).